Sodium 1-methyl 9-(sulphooxy)octadecanoate
基本情報
- CAS
139-99-1- 標準SMILES
CCCCCCCCCC(CCCCCCCC(=O)OC)OS(=O)(=O)[O-].[Na+]- InChIKey
LZEUPFJXTMRCHF-UHFFFAOYSA-M- 分子式
- C19H37NaO6S
- 平均分子量
- 416.6 g/mol
- 単同位体質量
- 416.22085435
名称と識別子
- 優先名称
- Sodium 1-methyl 9-(sulphooxy)octadecanoate
- IUPAC
- sodium (1-methoxy-1-oxooctadecan-9-yl) sulfate
名称と別名
139-99-1Aquarexat SMOAquarex SMOSodium 1-methyl 9-(sulphooxy)octadecanoateMethyl oleate, sulfated, sodium saltSodium 1-methyl 9-(sulfooxy)stearateOctadecanoic acid, 9-(sulfooxy)-, 1-methyl ester, sodium salt (1:1)Methyl oleate, sulphatedsodium 1-methoxy-1-oxooctadecan-9-yl sulfateSodium methyl 9(or 10)-(sulfooxy)stearateOctadecanoic acid, 9-(sulfooxy)-, 1-methyl ester, sodium salt68109-63-7
名称をさらに表示
EINECS 205-389-2sodium;(1-methoxy-1-oxooctadecan-9-yl) sulfateSCHEMBL17473950DTXSID60930273EINECS 268-479-0Sodium 1-methyl 9(or 10)-(sulphonatooxy)octadecanoateOctadecanoic acid, 9(or 10)-(sulfooxy)-, 1-methyl ester, sodium saltOctadecanoic acid, 9-hydroxy-, methyl ester, hydrogen sulfate, sodium salt
データベース識別子
- CAS
139-99-1、68109-63-7- PubChem CID
- 23674491
- DTXSID
DTXSID60930273- EC Number
- 205-389-2、268-479-0
- Nikkaji
- J184.423G
物性
構造計算による物性
- 極性表面積
- 101 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 6
- 回転可能結合数
- 19
- 重原子数
- 27
- 形式電荷
- 0
- 複雑度
- 436
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (36 of 36) of all reports.
Not Classified
Aggregated GHS information provided per 36 reports by companies from 1 notifications to the ECHA C&L Inventory.
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, and P362+P364 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
Chemical: Octadecanoic acid, 9-(sulfooxy)-, 1-methyl ester, sodium salt
Chemical: Octadecanoic acid, 9(or 10)-(sulfooxy)-, 1-methyl ester, sodium salt
Octadecanoic acid, 9-(sulfooxy)-, 1-methyl ester, sodium salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Not Classified
化学と産業
用途と製造
General Manufacturing Information
Octadecanoic acid, 9-(sulfooxy)-, 1-methyl ester, sodium salt (1:1): ACTIVE
Octadecanoic acid, 9(or 10)-(sulfooxy)-, 1-methyl ester, sodium salt (1:1): ACTIVE
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